| CAS Number | 113352-66-2 |
| Catalog Number | AG0093KF(AGN-PC-00OAK8) |
| Chemical Name | 1-(4-Methoxy-2-nitrophenyl)propan-2-one |
| IUPAC Name | 1-(4-methoxy-2-nitrophenyl)propan-2-one |
| InChI | InChI=1S/C10H11NO4/c1-7(12)5-8-3-4-9(15-2)6-10(8)11(13)14/h3-4,6H,5H2,1-2H3 |
| InChI Key | WHTPGMMGMTXQEC-UHFFFAOYSA-N |
| MDL Number | MFCD13192963 |
| Molecular Formula | C10H11NO4 |
| Molecular Weight | 209.1986 |
| SMILES | COC1=CC([N+]([O-])=O)=C(CC(C)=O)C=C1 |
| Synonyms | 1-(4-Methoxy-2-nitrophenyl)propan-2-one,
113352-66-2,
AK137435,
SCHEMBL14099278,
DTXSID40551667,
MFCD18287407,
ZINC63022962,
AKOS012501700,
DS-5843,
BBV-36993917,
AJ-114291,
AX8259003,
Z-8907,
|
| Complexity | 248 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 209.069g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 209.201g/mol |
| Monoisotopic Mass | 209.069g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 72.1A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 1.3 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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Hazard statements
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H302
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Packing Group
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Precautionary statements
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P280-P305+P351+P338
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UN Code
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Certificate of Analysis
Lot Number